TY - JOUR
T1 - Conformational analysis of nucleic acid molecules with flexible furanose rings in dihedral angle space
AU - Tomimoto, Masaki
AU - Go, Nobuhiro
AU - Wako, Hiroshi
PY - 1996/5
Y1 - 1996/5
N2 - The computational algorithm that works in the coordinate space of dihedral angles (i.e., bond lengths and bond angles are kept fixed and only rotatable dihedral angles are treated as independent variables) is extended to deal with the pseudorotational motion of furanose rings by introducing a variable of pseudorotation. Then, this algorithm is applied to a distance geometry calculation that generates three-dimensional (3D) structures that are consistent with given constraints of interatomic distances. This method efficiently generates 3D structures of an RNA hairpin loop which satisfy a set of experimental NMR data.
AB - The computational algorithm that works in the coordinate space of dihedral angles (i.e., bond lengths and bond angles are kept fixed and only rotatable dihedral angles are treated as independent variables) is extended to deal with the pseudorotational motion of furanose rings by introducing a variable of pseudorotation. Then, this algorithm is applied to a distance geometry calculation that generates three-dimensional (3D) structures that are consistent with given constraints of interatomic distances. This method efficiently generates 3D structures of an RNA hairpin loop which satisfy a set of experimental NMR data.
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U2 - 10.1002/(SICI)1096-987X(199605)17:7<910::AID-JCC14>3.0.CO;2-E
DO - 10.1002/(SICI)1096-987X(199605)17:7<910::AID-JCC14>3.0.CO;2-E
M3 - Article
AN - SCOPUS:0344453576
SN - 0192-8651
VL - 17
SP - 910
EP - 917
JO - Journal of Computational Chemistry
JF - Journal of Computational Chemistry
IS - 7
ER -